ChemSpider 2D Image | Platycodin D | C57H92O28

Platycodin D

  • Molecular FormulaC57H92O28
  • Average mass1225.324 Da
  • Monoisotopic mass1224.577515 Da
  • ChemSpider ID142975

  • defined stereocentres - 31 of 31 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosyloxy)-2,16,23,2 ; 4-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosyloxy)-2,16,23, ; 24-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β-D-glucopyranosyloxy)-2,16,23, ; 24-tétrahydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
58479-68-8 [RN]
Platycodin D
α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,16α)-3-(β- 
D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[58479-68-8] [RN]
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-b-D-xylopyranosyl-(1->4)-6-deoxy-a-L-mannopyranosyl-(1->2)-1-O-[(2b,3b,16a)-3-(b-D-glucopyranosyloxy)-2,16,23,2 4-tetrahydroxy-28-oxoolean-12-en-28-yl]-a-L-arabinopyranose
MFCD09952590
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CWJ06TA2GI [DBID]
UNII-CWJ06TA2GI [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.659
    Molar Refractivity: 288.4±0.4 cm3
    #H bond acceptors: 28
    #H bond donors: 17
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: -0.69
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.38
    ACD/LogD (pH 7.4): -1.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.38
    Polar Surface Area: 453 Å2
    Polarizability: 114.3±0.5 10-24cm3
    Surface Tension: 92.1±5.0 dyne/cm
    Molar Volume: 781.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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